N-[4-[(4-azanyl-5-methyl-pyrimidin-2-yl)amino]cyclohexyl]-3-chloranyl-4-fluoranyl-benzamide hydrochloride

Systemtic Name: N-[4-[(4-azanyl-5-methyl-pyrimidin-2-yl)amino]cyclohexyl]-3-chloranyl-4-fluoranyl-benzamide hydrochloride Openeye Name: N-[4-[(4-amino-5-methyl-pyrimidin-2-yl)amino]cyclohexyl]-3-chloro-4-fluoro-benzamide hydrochloride CAS Name: N-[4-[(4-amino-5-methyl-2-pyrimidinyl)amino]cyclohexyl]-3-chloro-4-fluorobenzamide hydrochloride IUPAC Name: N-[4-[(4-amino-5-methylpyrimidin-2-yl)amino]cyclohexyl]-3-chloro-4-fluorobenzamide hydrochloride Traditional Name: N-[4-[(4-amino-5-methyl-pyrimidin-2-yl)amino]cyclohexyl]-3-chloro-4-fluoro-benzamide hydrochloride Formula: C18H22Cl2FN5O MolecularWeight: 414.304583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1N)NC2CCC(CC2)NC(=O)C3=CC(=C(C=C3)F)Cl.Cl

Isomeric SMILES

CC1=CN=C(N=C1N)NC2CCC(CC2)NC(=O)C3=CC(=C(C=C3)F)Cl.Cl

InChI

InChI=1S/C18H21ClFN5O.ClH/c1-10-9-22-18(25-16(10)21)24-13-5-3-12(4-6-13)23-17(26)11-2-7-15(20)14(19)8-11;/h2,7-9,12-13H,3-6H2,1H3,(H,23,26)(H3,21,22,24,25);1H